2-benzyl-N-ethyl-N-(2-methylprop-2-enyl)-1,3-dioxoisoindole-5-carboxamide

C22H22N2O3 — CID 31832326

IUPAC2-benzyl-N-ethyl-N-(2-methylprop-2-enyl)-1,3-dioxoisoindole-5-carboxamide
SMILESC=C(C)CN(CC)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O
InChIInChI=1S/C22H22N2O3/c1-4-23(13-15(2)3)20(25)17-10-11-18-19(12-17)22(27)24(21(18)26)14-16-8-6-5-7-9-16/h5-12H,2,4,13-14H2,1,3H3
InChIKeyFYZPDJVSVDHGPY-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.52
Rot. Bonds6

About 2-benzyl-N-ethyl-N-(2-methylprop-2-enyl)-1,3-dioxoisoindole-5-carboxamide

2-benzyl-N-ethyl-N-(2-methylprop-2-enyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 31832326) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-benzyl-N-ethyl-N-(2-methylprop-2-enyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-ethyl-N-(2-methylprop-2-enyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID31832326
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name2-benzyl-N-ethyl-N-(2-methylprop-2-enyl)-1,3-dioxoisoindole-5-carboxamide
SMILESC=C(C)CN(CC)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O
InChIInChI=1S/C22H22N2O3/c1-4-23(13-15(2)3)20(25)17-10-11-18-19(12-17)22(27)24(21(18)26)14-16-8-6-5-7-9-16/h5-12H,2,4,13-14H2,1,3H3
InChIKeyFYZPDJVSVDHGPY-UHFFFAOYSA-N
XLogP3.52
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[(1,3-dioxoisoindol-2-yl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 60519917
2-benzyl-N-ethyl-1,3-dioxo-N-(thiophen-2-ylmethyl)isoindole-5-carboxamide
CID 46430983
2-benzyl-1,3-dioxoisoindole-5-carboxylic acid
CID 748193
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 4-[(1,3-dioxoisoindol-2-yl)methyl]benzoate
CID 35188289
2-benzyl-1,3-dioxo-N-phenyl-N-prop-2-enylisoindole-5-carboxamide
CID 55551272
propan-2-yl 2-benzyl-1,3-dioxoisoindole-5-carboxylate
CID 43018408
2-benzyl-N-methylsulfonyl-1,3-dioxoisoindole-5-carboxamide
CID 146154199
N-ethyl-N-(2-methylprop-2-enyl)-4-phenylmethoxybenzamide
CID 55370161
(1,3-dioxoisoindol-2-yl)methyl 2-benzyl-1,3-dioxoisoindole-5-carboxylate
CID 4020226
[2-(methylamino)-2-oxoethyl] 2-benzyl-1,3-dioxoisoindole-5-carboxylate
CID 31198481
2-benzyl-N-(cyclopropylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 33451204
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-benzyl-1,3-dioxoisoindole-5-carboxylate
CID 7738681

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-ethyl-N-(2-methylprop-2-enyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-benzyl-N-ethyl-N-(2-methylprop-2-enyl)-1,3-dioxoisoindole-5-carboxamide (CID 31832326) is 2-benzyl-N-ethyl-N-(2-methylprop-2-enyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-benzyl-N-ethyl-N-(2-methylprop-2-enyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-benzyl-N-ethyl-N-(2-methylprop-2-enyl)-1,3-dioxoisoindole-5-carboxamide is C=C(C)CN(CC)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O.
What is the InChIKey of 2-benzyl-N-ethyl-N-(2-methylprop-2-enyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is FYZPDJVSVDHGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-4-23(13-15(2)3)20(25)17-10-11-18-19(12-17)22(27)24(21(18)26)14-16-8-6-5-7-9-16/h5-12H,2,4,13-14H2,1,3H3.
What are the key properties of 2-benzyl-N-ethyl-N-(2-methylprop-2-enyl)-1,3-dioxoisoindole-5-carboxamide?
2-benzyl-N-ethyl-N-(2-methylprop-2-enyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-ethyl-N-(2-methylprop-2-enyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 31832326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).